5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole

C10H17N3O — CID 62906575

IUPAC5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1n[nH]c(C2CCOCC2)n1
InChIInChI=1S/C10H17N3O/c1-7(2)9-11-10(13-12-9)8-3-5-14-6-4-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyRNYYZTGEBMOHPL-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.82
Rot. Bonds2

About 5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole

5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole (PubChem CID 62906575) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole
PubChem CID62906575
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole
SMILESCC(C)c1n[nH]c(C2CCOCC2)n1
InChIInChI=1S/C10H17N3O/c1-7(2)9-11-10(13-12-9)8-3-5-14-6-4-8/h7-8H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyRNYYZTGEBMOHPL-UHFFFAOYSA-N
XLogP1.82
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(oxan-4-yl)-4H-1,2,4-triazol-3-amine
CID 62907564
(5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl)methanamine hydrochloride
CID 126796183
sodium 2-[5-(oxan-4-yl)-4H-1,2,4-triazol-3-yl]acetate
CID 126836891
5-[1-(methoxymethyl)cyclobutyl]-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74246487
5-[(2E)-but-2-en-1-yl]-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazole
CID 74236016
5-[2-(1-methylcyclopropyl)ethyl]-3-[(3R)-oxolan-3-yl]-1H-1,2,4-triazole
CID 97923281
3-(oxan-3-yl)-5-propyl-1H-1,2,4-triazole
CID 53788209
5-(Tetrahydropyran-4-yl)-1,2,4-triazole-3-carboxamide
CID 154733062
(5-(Tetrahydro-2h-pyran-4-yl)-4h-1,2,4-triazol-3-yl)methanamine
CID 65335042
3-methyl-5-(tetrahydro-2H-pyran-4-yl)-4H-1,2,4-triazole
CID 62906574
3-(oxan-4-yl)-1H-1,2,4-triazole
CID 91375415
3-ethyl-5-(oxan-3-ylmethyl)-1H-1,2,4-triazole
CID 118564349

Frequently Asked Questions

What is the IUPAC name of 5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole (CID 62906575) is 5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole is CC(C)c1n[nH]c(C2CCOCC2)n1.
What is the InChIKey of 5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole?
The InChIKey is RNYYZTGEBMOHPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)9-11-10(13-12-9)8-3-5-14-6-4-8/h7-8H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole?
5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole has a molecular weight of 195.27 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxan-4-yl)-3-propan-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 62906575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).